CID 135405834

303108-12-5

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C20H20N4O4/c1-3-28-19-9-13(7-8-18(19)25)12-21-24-20(26)17-11-16(22-23-17)14-5-4-6-15(10-14)27-2/h4-12,25H,3H2,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
ODLIDIPJVSEZEB-CIAFOILYSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 188.2
[M+Na]+ 403.13769 194.3
[M-H]- 379.14119 194.8
[M+NH4]+ 398.18229 197.5
[M+K]+ 419.11163 189.5
[M+H-H2O]+ 363.14573 177.6
[M+HCOO]- 425.14667 210.7
[M+CH3COO]- 439.16232 220.1
[M+Na-2H]- 401.12314 190.1
[M]+ 380.14792 190.3
[M]- 380.14902 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.